No title 1.00000000000000 7.6631000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 25.3262000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.8372600000000006 Si O H N F 42 16 15 1 6 Direct 0.8496221999999989 0.3079244600000024 0.0625822299999967 0.8502283500000019 0.3852470300000022 0.4443873299999979 0.0995515800000035 0.3076306900000034 0.1926064999999966 0.0998026299999992 0.3835849999999965 0.3178840200000010 0.8604468999999995 0.5426693400000033 0.4395196199999987 0.1042262599999972 0.5379269499999992 0.3050450699999985 0.8485516100000012 0.4589255599999973 0.0662022400000026 0.8459041099999993 0.2299689099999966 0.4422658100000021 0.0997212999999988 0.4587309699999977 0.1928411399999987 0.0956498099999976 0.2291895199999985 0.3136430899999993 0.3519466199999997 0.6590814999999992 0.5173282100000023 0.8501064000000014 0.3081892200000027 0.5651743100000033 0.8497243500000025 0.3845458600000029 0.9387364099999971 0.0999473899999970 0.3095887099999999 0.6946166800000029 0.1007232199999990 0.3882852099999994 0.8128175000000013 0.8521994099999972 0.5376504099999977 0.9511287099999990 0.1034080000000017 0.5433799899999983 0.8207052899999994 0.8512000699999973 0.4643021099999984 0.5605416499999976 0.8459801999999996 0.2292747500000019 0.9425845299999978 0.1013470999999981 0.4668664200000023 0.6905445599999993 0.0962046400000034 0.2304689099999990 0.8149472699999976 0.3495382799999973 0.3079577800000024 0.0626622099999992 0.3500220900000031 0.3853919599999998 0.4440625399999973 0.5995947700000031 0.3081036999999966 0.1925227400000011 0.6004347699999997 0.3840051999999972 0.3183382899999998 0.3531001400000022 0.5411954699999981 0.4347616100000025 0.6083360900000017 0.5415327500000018 0.3109247000000011 0.3534869300000025 0.4588146600000016 0.0686697699999996 0.3455456900000016 0.2297598299999990 0.4421092400000006 0.6027686099999983 0.4607474700000012 0.1984434399999984 0.5958045499999969 0.2296735500000011 0.3138737499999991 0.3491386700000021 0.3081353600000014 0.5645703400000031 0.3508801300000002 0.3847745500000030 0.9396796500000022 0.5993450799999991 0.3087178199999983 0.6935679600000029 0.6000021099999984 0.3868235400000017 0.8123067900000009 0.3537508200000019 0.5370777600000025 0.9534582200000017 0.6007633600000020 0.5416373999999990 0.8189184599999990 0.3514477399999976 0.4643293600000007 0.5603054600000021 0.3462228499999966 0.2292711999999995 0.9427280900000028 0.6011262299999984 0.4650780200000000 0.6909085099999999 0.5959962200000035 0.2299810600000001 0.8145991499999994 0.5882091499999973 0.6629987299999982 0.7453642899999977 0.3373614799999984 0.5919581100000002 0.5244528500000030 0.1129571100000035 0.5895070999999987 0.2083675599999992 0.3348871399999993 0.1782030199999980 0.5403772000000018 0.0845925200000011 0.1774537599999988 0.2159205800000024 0.3640463600000032 0.5893319400000010 0.0468846999999997 0.1098628800000014 0.6044400099999976 0.7803128500000014 0.3348618699999975 0.1777705699999999 0.0410680999999968 0.0849639799999977 0.1799451899999980 0.7138803100000004 0.8751784999999970 0.5908524299999982 0.5394918499999974 0.6169523000000012 0.5913464599999969 0.2097881899999976 0.8346281500000003 0.1785086800000002 0.5407644000000005 0.5850136800000030 0.1780373100000006 0.2158496799999980 0.8613183699999993 0.5900582900000018 0.0442814100000035 0.5944418400000018 0.5972073900000012 0.7442767699999990 0.8348734200000010 0.1777661100000003 0.0408948600000016 0.5848104399999983 0.1791752000000031 0.7143170200000029 0.0125531099999989 0.5942974800000016 0.1490222299999999 0.9337752200000011 0.1752913500000020 0.6010053400000004 0.1835917399999971 0.1738855199999989 0.1557993999999994 0.2636019700000034 0.5941810899999993 0.1067877699999968 0.1111755299999970 0.6258904900000033 0.7024171999999993 0.9338884800000002 0.1740706599999982 0.1009747800000014 0.1845264900000032 0.1760414100000034 0.6541711500000034 0.9500057999999996 0.6223937999999976 0.5311839199999966 0.5147638600000022 0.5956322500000013 0.1517761500000034 0.4339462000000012 0.1747352399999968 0.6005643499999991 0.6840135599999968 0.1744121899999982 0.1557354300000000 0.7622998100000018 0.5946832999999998 0.1057164999999998 0.4338580200000024 0.1742329799999993 0.1012142299999965 0.6841333300000016 0.1755853200000033 0.6542972800000015 0.4373974299999972 0.7529095599999991 0.6536031300000005 0.4428737400000031 0.6889991099999975 0.6458335900000023 0.7842876500000031 0.6808473600000013 0.7191752000000022 0.2663708700000029 0.6830185800000024 0.3926728100000005 0.5461803199999977 0.6791310600000031 0.8849000200000035 0.1409536000000031 0.6617811500000030 0.5854693400000031 0.4367718800000020 0.7918435200000005 0.6595584000000017 0.5523176000000021 0.6595706000000021 0.4525674799999990 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00